EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172457 - Nookatone

Default Structure
ChEBI IDCHEBI:172457
ChEBI NameNookatone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESC=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1
InChIInChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
InChIKeyWTOYNNBCKUYIKC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Nookatone (CHEBI:172457) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
19575ChemSpider
HMDB0013687HMDB
Registry NumbersSources
CAS:91416-23-8ChemIDplus